4,4'-[(3E)-3-Hexene-3,4-diyl]diphenol | CAS No. 56-53-1

4,4'-[(3E)-3-Hexene-3,4-diyl]diphenol

Basic Information

CAS Number

56-53-1

Molecular Formula

C18H20O2

Molecular Weight

268.36 g/mol

AD

Basic Physical Properties

Melting Point

169-175 ºC

Boiling Point

351.51°C (rough estimate)

Flash Point

104°C c.c.

Solubility

methanol: 0.1 g/mL, clear, faintly yellow

Refractive Index

1.4800 (estimate)

CCC(=C(CC)C1=CC=C(C=C1)O)C2=CC=C(C=C2)O

InChI

InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+

InChIKey

RGLYKWWBQGJZGM-ISLYRVAYSA-N

LogP

4.828600000000005

Topological Polar Surface Area

40.46 Ų

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

286

Safety Information

View Safety Information

GHS Hazard Pictograms

H315H315
H319H319
H335H335
H350H350
H360H360
H410H410

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation
H350 May cause cancer
Carcinogenicity
H360 May damage fertility or the unborn child
Reproductive toxicity
H410 Very toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class 6.1(b) Class 6.1(b)

Synonyms & References

English

  • Tampovagan stilboestrol
  • NSC756736
  • Estilbin MCO
  • 4,4'-(1,2-Diethyl-1,2-ethenediyl)bisphenol
  • STK366318
  • (E)-4,4'-(hex-3-ene-3,4-diyl)diphenol
  • Z2568587997
  • NCGC00090749-09
  • (Z)-4,4'-(1,2-Diethyl-1,2-ethylenediyl)bisphenol
  • diethylstilbestrol (DES)
  • Dietilstilbestrolo
  • diethylstilboestrol
  • NSC 3070
  • HMS2091M18
  • Phenol, 4,4'-(1,2-diethyl-1,2-ethenediyl)bis-, (E)-
  • Stilboestrol
  • HMS1920G08
  • 3-Hexene,4-bis(p-hydroxyphenyl)-
  • Dyestrol
  • diethylstilbestrol-
  • DIETHYLSTILBESTROL [IARC]
  • neo-oe stranol 1
  • 3,4'-Dihydroxyphenyl)hex-3-ene
  • cis-Des
  • Phenol, 4,4'-(1,2-diethyl-1,2-ethenediyl)bis-, (Z)-
  • Gerda Brand of Diethylstilbestrol
  • SR-01000745070-4
  • CHEMBL411
  • Estilbin (MCO)
  • Palestrol
  • trans-Diethylstilbesterol

MDL Number

MFCD00002373

Customs Code

2942000000

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